SCHEMBL19946338

SCHEMBL19946338

CC(C)(O)C(OC(N)=O)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.64
EPHX2 P34913 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19946332 0.80 PDE2A (0.53) PDE2AEPHX2TRPM8
SCHEMBL19946345 0.80 EPHX1 (0.42) PDE2AEPHX2
SCHEMBL18249304 0.78 PDE2A (1.00) PDE2AEPHX2TRPM8
SCHEMBL20266802 0.78 PDE2A (1.00) PDE2AEPHX2TRPM8
SCHEMBL17797443 0.78 PDE2A (0.51) PDE2AEPHX2
SCHEMBL28114750 0.78 PDE2A (0.51) PDE2AEPHX2
SCHEMBL19946337 0.77 PDE2A (0.50) PDE2AEPHX2TRPM8
SCHEMBL19946334 0.77 PDE2A (0.50) PDE2AEPHX2TRPM8
Hydrochloric Acid SCHEMBL16563563 0.77 PDE2A (0.97) PDE2AEPHX2TRPM8
Hydrochloric Acid SCHEMBL17781163 0.77 PDE2A (0.97) PDE2AEPHX2TRPM8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed